3-methylsulfonyl-1-(2-phenyltriazol-4-yl)propan-1-ol

C12H15N3O3S — CID 114983866

IUPAC3-methylsulfonyl-1-(2-phenyltriazol-4-yl)propan-1-ol
SMILESCS(=O)(=O)CCC(O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C12H15N3O3S/c1-19(17,18)8-7-12(16)11-9-13-15(14-11)10-5-3-2-4-6-10/h2-6,9,12,16H,7-8H2,1H3
InChIKeyFWAXHYOWCKWYQY-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.74
Rot. Bonds5

About 3-methylsulfonyl-1-(2-phenyltriazol-4-yl)propan-1-ol

3-methylsulfonyl-1-(2-phenyltriazol-4-yl)propan-1-ol (PubChem CID 114983866) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-methylsulfonyl-1-(2-phenyltriazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-methylsulfonyl-1-(2-phenyltriazol-4-yl)propan-1-ol
PubChem CID114983866
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name3-methylsulfonyl-1-(2-phenyltriazol-4-yl)propan-1-ol
SMILESCS(=O)(=O)CCC(O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C12H15N3O3S/c1-19(17,18)8-7-12(16)11-9-13-15(14-11)10-5-3-2-4-6-10/h2-6,9,12,16H,7-8H2,1H3
InChIKeyFWAXHYOWCKWYQY-UHFFFAOYSA-N
XLogP0.74
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methylsulfonyl-1-(2-phenyltriazol-4-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-phenyl-2H-1,2,3-triazol-4-yl)methanol
CID 707096
(1R)-1-(2-phenyl-2H-1,2,3-triazol-4-yl)ethan-1-ol
CID 145915711
(2-Phenyltriazol-4-yl)methyl trifluoromethanesulfonate
CID 102621557
4,4,4-Trifluoro-1-(2-phenyltriazol-4-yl)butan-1-ol
CID 105104709
3-[(2-Phenyltriazol-4-yl)methylsulfanyl]propane-1,2-diol
CID 71862761
(2R)-3-[(2-phenyltriazol-4-yl)methylsulfanyl]propane-1,2-diol
CID 97083280
(2S)-3-[(2-phenyltriazol-4-yl)methylsulfanyl]propane-1,2-diol
CID 97083281
(2-Phenyltriazol-4-yl)methyl methanesulfonate
CID 102620900
3-Methyl-1-(2-phenyltriazol-4-yl)butan-1-ol
CID 105076260
1-(2-Phenyltriazol-4-yl)but-3-en-1-ol
CID 105081721
1-(2-Phenyltriazol-4-yl)pent-3-yn-1-ol
CID 105082500
4-Methylsulfonyl-1-(2-phenyltriazol-4-yl)butan-1-ol
CID 105082631

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-1-(2-phenyltriazol-4-yl)propan-1-ol?
The IUPAC name of 3-methylsulfonyl-1-(2-phenyltriazol-4-yl)propan-1-ol (CID 114983866) is 3-methylsulfonyl-1-(2-phenyltriazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-methylsulfonyl-1-(2-phenyltriazol-4-yl)propan-1-ol?
The canonical SMILES for 3-methylsulfonyl-1-(2-phenyltriazol-4-yl)propan-1-ol is CS(=O)(=O)CCC(O)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 3-methylsulfonyl-1-(2-phenyltriazol-4-yl)propan-1-ol?
The InChIKey is FWAXHYOWCKWYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-19(17,18)8-7-12(16)11-9-13-15(14-11)10-5-3-2-4-6-10/h2-6,9,12,16H,7-8H2,1H3.
What are the key properties of 3-methylsulfonyl-1-(2-phenyltriazol-4-yl)propan-1-ol?
3-methylsulfonyl-1-(2-phenyltriazol-4-yl)propan-1-ol has a molecular weight of 281.34 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-1-(2-phenyltriazol-4-yl)propan-1-ol is sourced from PubChem (CID 114983866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).